F978-0683 Screening compound: ethyl 2-({4-[1-(4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)acetate

F978-0683 Screening compound: ethyl 2-({4-[1-(4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)acetate
F978-0683 Screening compound: ethyl 2-({4-[1-(4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F978-0683
ethyl 2-({4-[1-(4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F978-0683

Molecular Formula

C20H25N5O4 (C20 H25 N5 O4)

Compound Name

ethyl 2-({4-[1-(4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)acetate

IUPAC name

ethyl 2-({4-[1-(4-methylphenyl)-6-oxo-16-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)acetate

SMILES

CCOC(CNC(N(CC1)CCN1C(C=C1)=NN(c2ccc(C)cc2)C1=O)=O)=O

InChI

InChI=1S/C20H25N5O4/c1-3-29-19(27)14-21-20(28)24-12-10-23(11-13-24)17-8-9-18(26)25(22-17)16-6-4-15(2)5-7-16/h4-9H,3,10-14H2,1-2H3,(H,21,28)

InChI Key

AACQGWFLVYLWOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14973738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.508

Distribution Coefficient, logD

1.508

Water Solubility, LogSw

-2.13

Polar Surface Area

77.734

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

F978-0683 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F978-0683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F978-0683?
Check Price and Availability of F978-0683, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F978-0683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F978-0683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F978-0683
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F978-0683 available by request